Geometry & MOs

Info

ID:	306472
PubChem CID:	125081921
Reduced:	SCl2N3O5C30H35 (1)
Stoich.:	AB2C3D5E30F35 (1)
Weight, g/mol:	507.195855
ΔH_f, kcal/mol:	-172.08
Dipole, Da:	6.2
IP(EA), eV:	-8.61(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(2S)-butan-2-yl]-2-[[2-(2-chloro-N-methylsulfonylanilino)acetyl]-(2-phenylethyl)amino]butanamide

Drug info:

PubChemData

Smile

CC[C@H](C)NC(=O)[C@H](C)N(CC1=C(C=CC=C1Cl)Cl)C(=O)CN(C2=C(C=CC(=C2)C)OC)S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations